SCHEMBL3144017

SCHEMBL3144017

O=C1CN(Cc2ccc([N+](=O)[O-])cc2)CCN1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KCNJ1 P48048 3/20 0.56
KCNH2 Q12809 2/20 0.56
KDM4E B2RXH2 4/20 0.55
ALDH1A1 P00352 4/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
LMNA P02545 1/20 0.54
MAPT P10636 1/20 0.54
POLB P06746 1/20 0.48
NPC1 O15118 1/20 0.46
NR2F2 P24468 1/20 0.46
MAPK1 P28482 1/20 0.46
RAB9A P51151 1/20 0.46
DPP4 P27487 1/20 0.46
HRH3 Q9Y5N1 1/20 0.46

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL626660 0.83 KCNJ1 (0.72) KCNJ1KCNH2KDM4EALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL4478110 0.82 KCNJ1 (0.70) KCNJ1KCNH2KDM4EALDH1A1SMN1; SMN2
Bromide SCHEMBL9067030 0.82 KCNJ1 (0.70) KCNJ1KCNH2KDM4EALDH1A1SMN1; SMN2
SCHEMBL5334337 0.82 KCNJ1 (0.70) KCNJ1KCNH2KDM4EALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL6289818 0.82 KCNJ1 (0.70) KCNJ1KCNH2KDM4EALDH1A1SMN1; SMN2
SCHEMBL4751222 0.80 SMN1; SMN2 (0.58) KDM4EALDH1A1SMN1; SMN2LMNAPOLB
SCHEMBL1427302 0.79 ALDH1A1 (0.47) KDM4EALDH1A1SMN1; SMN2LMNAPOLB
SCHEMBL29283174 0.79 ALDH1A1 (0.61) KCNJ1KCNH2KDM4EALDH1A1SMN1; SMN2
SCHEMBL4748942 0.79 ALDH1A1 (0.61) KDM4EALDH1A1SMN1; SMN2POLBHRH3
SCHEMBL17468364 0.79 CXCR4 (0.55) KDM4EALDH1A1SMN1; SMN2LMNAPOLB

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1224170-B9 6-POSITION SUBSTITUTED INDOLINE, PRODUCTION AND USE THEREOF AS A MEDICAMENT BOEHRINGER INGELHEIM PHARMA (DE) 2017-11-22 EP disclosed
EP-2157081-A1 Indolinones substituted in six locations, their manufacture and their application as medicine Boehringer Ingelheim Pharma GmbH & Co. KG (DE) 2010-02-24 EP disclosed
EP-1224170-B1 6-POSITION SUBSTITUTED INDOLINE, PRODUCTION AND USE THEREOF AS A MEDICAMENT BOEHRINGER INGELHEIM PHARMA (DE) 2009-08-12 EP disclosed
US-6762180-B1 Substituted indolines which inhibit receptor tyrosine kinases BOEHRINGER INGELHEIM PHARMA KG (DE) 2004-07-13 US disclosed
EP-1224170-A1 6-POSITION SUBSTITUTED INDOLINE, PRODUCTION AND USE THEREOF AS A MEDICAMENT Boehringer Ingelheim Pharma KG (DE) 2002-07-24 EP disclosed
WO-2001027081-A1 6-POSITION SUBSTITUTED INDOLINE, PRODUCTION AND USE THEREOF AS A MEDICAMENT BOEHRINGER INGELHEIM PHARMA KG (DE) 2001-04-19 WO disclosed